2-[[5-(4-methylpiperidin-1-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4-methylpiperidin-1-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4-methyl-1-piperidyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-methyl-1-piperidinyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-methylpiperidin-1-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4-methylpiperidino)-4-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)O)N2CCC(CC2)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)O)N2CCC(CC2)C

InChI

InChI=1S/C13H22N4O2S/c1-3-6-17-12(16-7-4-10(2)5-8-16)14-15-13(17)20-9-11(18)19/h10H,3-9H2,1-2H3,(H,18,19)